D364-2294 Screening compound: 3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

D364-2294 Screening compound: 3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
D364-2294 Screening compound: 3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D364-2294
3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D364-2294

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

3-(35-dimethylphenyl)-6-hydroxy-5-[2-(2-methoxyphenyl)-23-dihydro-15-benzothiazepin-4-yl]-1234-tetrahydropyrimidine-24-dione

SMILES

Cc1cc(N(C(C(C(C2)=Nc(cccc3)c3SC2c(cccc2)c2OC)=C(N2)O)=O)C2=O)cc(C)c1

InChI

InChI=1S/C28H25N3O4S/c1-16-12-17(2)14-18(13-16)31-27(33)25(26(32)30-28(31)34)21-15-24(19-8-4-6-10-22(19)35-3)36-23-11-7-5-9-20(23)29-21/h4-14,24,32H,15H2,1-3H3,(H,30,34)/t24-/m0/s1

InChI Key

BHQSEACHWCSXQY-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14825364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

-1.619

Water Solubility, LogSw

-4.43

Polar Surface Area

72.290

Acid Dissociation Constant (pKa)

0.83

Base Dissociation Constant (pKb)

-5.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

D364-2294 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D364-2294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D364-2294?
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What is the minimum amount of D364-2294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D364-2294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D364-2294
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D364-2294 available by request